SCHEMBL24460593

SCHEMBL24460593

Brc1cccc2ccc3[nH]ncc3c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.62
AXL P30530 2/20 0.62
IDO1 P14902 3/20 0.42
CDK2 P24941 2/20 0.41
HSP90AA1 P07900 1/20 0.41
METAP2 P50579 3/20 0.41
CSNK2A1 P68400 1/20 0.41
DYRK1A Q13627 1/20 0.41
TRPA1 O75762 1/20 0.37
ABCB1 P08183 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PIM1 P11309 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PIM3 Q86V86 1/20 0.36
FLT3 P36888 1/20 0.35
CCNA1 P78396 1/20 0.35
STING1 Q86WV6 1/20 0.35
TDO2 P48775 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29563432 1.00 NOS1 (0.62) NOS1AXLIDO1CDK2HSP90AA1
SCHEMBL24460610 0.79 IDO1 (0.46) NOS1AXLIDO1CDK2HSP90AA1
SCHEMBL29692441 0.77 NOS1 (1.00) NOS1AXLIDO1CDK2HSP90AA1
SCHEMBL155255 0.77 NOS1 (1.00) NOS1AXLIDO1CDK2HSP90AA1
SCHEMBL10595712 0.75 NOS1 (0.72) NOS1AXLIDO1CDK2METAP2
SCHEMBL29563426 0.72 IDO1 (0.54) NOS1AXLIDO1CDK2HSP90AA1
SCHEMBL276443 0.72 IDO1 (0.54) NOS1AXLIDO1CDK2HSP90AA1
SCHEMBL12321248 0.70 NOS1 (0.56) NOS1AXLIDO1CDK2HSP90AA1
SCHEMBL28357450 0.70 ALDH1A1 (0.59) NOS1CDK2RAB9A
SCHEMBL29405571 0.70 ALDH1A1 (0.59) NOS1CDK2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416266-A1 6,7-DIHYDRO-PYRANO[2,3-d]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2023-12-28 US disclosed
EP-4247807-A1 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2023-09-27 EP disclosed
WO-2022109485-A1 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO disclosed
WO-2022109485-A1 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230416266-A1 6,7-DIHYDRO-PYRANO[2,3-d]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS NOS1 4616/4885AXL 2231/4885IDO1 4622/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.